Materials Data on Li4Be3As3BrO12 by Materials Project

Abstract

Li4Be3As3O12Br crystallizes in the cubic P-43n space group. The structure is three-dimensional. Li1+ is bonded to three equivalent O2- and one Br1- atom to form LiBrO3 tetrahedra that share corners with three equivalent LiBrO3 tetrahedra, corners with three equivalent BeO4 tetrahedra, and corners with three equivalent AsO4 tetrahedra. All Li–O bond lengths are 1.99 Å. The Li–Br bond length is 2.63 Å. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent LiBrO3 tetrahedra and corners with four equivalent AsO4 tetrahedra. All Be–O bond lengths are 1.64 Å. As5+ is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share corners with four equivalent LiBrO3 tetrahedra and corners with four equivalent BeO4 tetrahedra. All As–O bond lengths are 1.72 Å. O2- is bonded in a trigonal planar geometry to one Li1+, one Be2+, and one As5+ atom. Br1- is bonded in a tetrahedral geometry to four equivalent Li1+ atoms.